CHEBI:78485 - ganglioside GM2 (18:0) (1−)

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ChEBI Name ganglioside GM2 (18:0) (1−) ChEBI ID CHEBI:78485 ChEBI ASCII Name ganglioside GM2 (18:0) (1-) Definition An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy group of ganglioside GM2 (18:0); major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C67H120N3O26 Net Charge -1 Average Mass 1383.67470 Monoisotopic Mass 1382.81655 InChI InChI=1S/C67H121N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(80)70-43(44(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-89-64-57(85)56(84)59(48(38-73)91-64)93-65-58(86)62(60(49(39-74)92-65)94-63-52(69-42(4)76)55(83)54(82)47(37-72)90-63)96-67(66(87)88)35-45(78)51(68-41(3)75)61(95-67)53(81)46(79)36-71/h31,33,43-49,51-65,71-74,77-79,81-86H,5-30,32,34-40H2,1-4H3,(H,68,75)(H,69,76)(H,70,80)(H,87,88)/p-1/b33-31+/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+,65-,67-/m0/s1 InChIKey GIVLTTJNORAZON-HDBOBKCLSA-M SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) ) View more via ChEBI Ontology ChEBI Ontology Outgoing ganglioside GM2 (18:0) (1−) (CHEBI:78485) is a β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(1−) (CHEBI:71502) ganglioside GM2 (18:0) (1−) (CHEBI:78485) is a anionic ganglioside (CHEBI:79346) ganglioside GM2 (18:0) (1−) (CHEBI:78485) is conjugate base of ganglioside GM2 (18:0) (CHEBI:60327) Incoming ganglioside GM2 (18:0) (CHEBI:60327) is conjugate acid of ganglioside GM2 (18:0) (1−) (CHEBI:78485) IUPAC Name (2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-en-1-yl 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2→3)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside Synonyms Sources ganglioside GM2 (d18:1(4E)/18:0) UniProt N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1ʼ)-N-octadecanoylsphingosine SUBMITTER N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1ʼ)-N-stearoylsphingosine(1−) SUBMITTER Citation Type Source 16934889 PubMed citation SUBMITTER Last Modified 18 October 2023